(3S)-3-azanyl-4-[[(2R)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2R)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1R)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1R)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]amino]-4-keto-butyric acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CO)NC(=O)C(CC(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@H](CO)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C13H18N2O5/c14-11(6-12(18)19)13(20)15-9(7-16)5-8-1-3-10(17)4-2-8/h1-4,9,11,16-17H,5-7,14H2,(H,15,20)(H,18,19)/t9-,11+/m1/s1